N-[3-[(1S,5R)-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide

C25H30N2O3S — CID 118102429

IUPACN-[3-[(1S,5R)-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide
SMILESCC1(c2cccc(NS(=O)(=O)C3CC3)c2)[C@@H]2CN(CC3(O)Cc4ccccc4C3)C[C@@H]21
InChIInChI=1S/C25H30N2O3S/c1-24(19-7-4-8-20(11-19)26-31(29,30)21-9-10-21)22-14-27(15-23(22)24)16-25(28)12-17-5-2-3-6-18(17)13-25/h2-8,11,21-23,26,28H,9-10,12-16H2,1H3/t22-,23+,24?
InChIKeyFFJMPDLBXMVANK-VSGJHWFKSA-N
MW438.59 g/mol
LogP2.94
Rot. Bonds6

About N-[3-[(1S,5R)-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide

N-[3-[(1S,5R)-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide (PubChem CID 118102429) has the molecular formula C25H30N2O3S and a molecular weight of 438.59 g/mol. Its IUPAC name is N-[3-[(1S,5R)-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[3-[(1S,5R)-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide
PubChem CID118102429
Molecular FormulaC25H30N2O3S
Molecular Weight438.59 g/mol
Exact Mass438.20
IUPAC NameN-[3-[(1S,5R)-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide
SMILESCC1(c2cccc(NS(=O)(=O)C3CC3)c2)[C@@H]2CN(CC3(O)Cc4ccccc4C3)C[C@@H]21
InChIInChI=1S/C25H30N2O3S/c1-24(19-7-4-8-20(11-19)26-31(29,30)21-9-10-21)22-14-27(15-23(22)24)16-25(28)12-17-5-2-3-6-18(17)13-25/h2-8,11,21-23,26,28H,9-10,12-16H2,1H3/t22-,23+,24?
InChIKeyFFJMPDLBXMVANK-VSGJHWFKSA-N
XLogP2.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.59
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[(1S,5R)-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(1S,5R)-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide?
The IUPAC name of N-[3-[(1S,5R)-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide (CID 118102429) is N-[3-[(1S,5R)-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[3-[(1S,5R)-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[3-[(1S,5R)-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide is CC1(c2cccc(NS(=O)(=O)C3CC3)c2)[C@@H]2CN(CC3(O)Cc4ccccc4C3)C[C@@H]21.
What is the InChIKey of N-[3-[(1S,5R)-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide?
The InChIKey is FFJMPDLBXMVANK-VSGJHWFKSA-N. The full InChI is InChI=1S/C25H30N2O3S/c1-24(19-7-4-8-20(11-19)26-31(29,30)21-9-10-21)22-14-27(15-23(22)24)16-25(28)12-17-5-2-3-6-18(17)13-25/h2-8,11,21-23,26,28H,9-10,12-16H2,1H3/t22-,23+,24?.
What are the key properties of N-[3-[(1S,5R)-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide?
N-[3-[(1S,5R)-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide has a molecular weight of 438.59 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1S,5R)-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]cyclopropanesulfonamide is sourced from PubChem (CID 118102429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).